O-[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-hexylbenzenecarbothioate

Systemtic Name: O-[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-hexylbenzenecarbothioate Openeye Name: O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-hexylbenzenecarbothioate CAS Name: 4-hexylbenzenecarbothioic acid O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-hexylbenzenecarbothioate Traditional Name: 4-hexylthiobenzoic acid O-[1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C20H25F3N4O2S2 MolecularWeight: 474.56331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=S)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=S)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C20H25F3N4O2S2/c1-3-4-5-6-7-14-8-10-15(11-9-14)17(30)29-16-12-26(2)13-27(16,28)19-25-24-18(31-19)20(21,22)23/h8-11,16H,3-7,12-13H2,1-2H3